SCHEMBL10196036

SCHEMBL10196036

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNN4CCN(C)CC4)cc3)cc2)C(=O)O1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 8/20 0.55
▸ MAOA P21397 5/20 0.50
▸ MAOB P27338 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ CALML3 P27482 1/20 0.50
▸ SDHA P31040 1/20 0.50
▸ F2 P00734 1/20 0.45
▸ ITGB3 P05106 1/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ ITGA2B P08514 1/20 0.45
▸ PRSS3 P35030 1/20 0.45
▸ ABCB11 O95342 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1394782 0.89 MAOA (0.57) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL10196053 0.86 F10 (0.59) F10MAOAMAOBLMNAPTGS1
SCHEMBL13298924 0.84 MAOA (0.61) F10MAOAMAOBLMNAPTGS1
SCHEMBL6753194 0.82 MAOA (0.59) F10MAOAMAOBLMNAPTGS1
SCHEMBL8489161 0.80 MAOA (0.55) F10MAOAMAOBLMNAPTGS1
SCHEMBL8489164 0.80 MAOA (0.55) F10MAOAMAOBLMNAPTGS1
SCHEMBL9550262 0.80 MAOA (0.57) F10MAOAMAOBLMNAPTGS1
SCHEMBL9550299 0.80 MAOA (0.57) F10MAOAMAOBLMNAPTGS1
SCHEMBL9550276 0.80 MAOA (0.57) F10MAOAMAOBLMNAPTGS1
SCHEMBL10196046 0.80 MAOA (0.49) F10MAOAMAOBLMNAPTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550783-B2 Biaryl heterocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-01-24 — — US disclosed
US-9550783-B2 Biaryl heterocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-01-24 — — US disclosed
US-20150072970-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS, INC. (US) 2015-03-12 — — US disclosed
US-20150072970-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS, INC. (US) 2015-03-12 — — US disclosed
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-13 — — US disclosed
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-13 — — US disclosed
US-20120010200-A1 Biaryl Heterocyclic Compounds And Methods Of Making And Using The Same RIB-X PHARMACEUTICALS, INC. 2012-01-12 — — US disclosed
US-20120010200-A1 Biaryl Heterocyclic Compounds And Methods Of Making And Using The Same RIB-X PHARMACEUTICALS, INC. 2012-01-12 — — US disclosed
US-20100234591-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2010-09-16 — — US disclosed
US-20100234591-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2010-09-16 — — US disclosed
US-7705026-B2 Biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2010-04-27 — — US disclosed
US-7705026-B2 Biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2010-04-27 — — US disclosed
US-20090118502-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2009-05-07 — — US disclosed
US-7456206-B2 Biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2008-11-25 — — US disclosed
US-7456206-B2 Biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2008-11-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100234591-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF F10 4285/4885MAOA 872/4885MAOB 994/4885
US-20150072970-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF F10 4285/4885MAOA 872/4885MAOB 994/4885
US-20090118502-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF F10 4285/4885MAOA 872/4885MAOB 994/4885
US-20120010200-A1 Biaryl Heterocyclic Compounds And Methods Of Making And Using The Same PCNA, AADAC, MIF F10 4285/4885MAOA 872/4885MAOB 994/4885
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same PCNA, AADAC, MIF F10 4285/4885MAOA 872/4885MAOB 994/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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